SCHEMBL31184920

SCHEMBL31184920

COc1cc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 2/20 0.42
▸ MAPT P10636 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TYK2 P29597 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ UBE2M P61081 2/20 0.39
▸ DCUN1D1 Q96GG9 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31184595 0.93 KDR (0.46) MALT1MAPTSMN1; SMN2TSHRKMT2A
SCHEMBL31184711 0.90 MALT1 (0.44) MALT1MAPTSMN1; SMN2TSHRKMT2A
SCHEMBL31184972 0.89 POLB (0.44) MALT1MAPTSMN1; SMN2TSHRKMT2A
SCHEMBL31184475 0.89 POLB (0.49) MALT1MAPTKMT2ALMNAMAPK1
SCHEMBL31184761 0.88 MAPT (0.43) MALT1MAPTSMN1; SMN2TSHRKMT2A
SCHEMBL31184640 0.88 POLB (0.45) MALT1MAPTSMN1; SMN2TSHRKMT2A
SCHEMBL31184499 0.87 MALT1 (0.46) MALT1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL31184468 0.87 TP53 (0.44) MALT1MAPTSMN1; SMN2TSHRKMT2A
SCHEMBL31184419 0.87 POLB (0.42) MALT1MAPTSMN1; SMN2TSHRKMT2A
SCHEMBL31184741 0.86 MAPT (0.43) MALT1MAPTSMN1; SMN2TSHRKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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